CID 121553352

Methyl 2-(azidomethyl)-1,3-oxazole-4-carboxylate

Structural Information

Molecular Formula
C6H6N4O3
SMILES
COC(=O)C1=COC(=N1)CN=[N+]=[N-]
InChI
InChI=1S/C6H6N4O3/c1-12-6(11)4-3-13-5(9-4)2-8-10-7/h3H,2H2,1H3
InChIKey
UPVBKNJWBCHLPE-UHFFFAOYSA-N
Compound name
methyl 2-(azidomethyl)-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.04399 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05127 134.7
[M+Na]+ 205.03321 142.5
[M-H]- 181.03671 140.8
[M+NH4]+ 200.07781 153.6
[M+K]+ 221.00715 139.3
[M+H-H2O]+ 165.04125 131.8
[M+HCOO]- 227.04219 165.3
[M+CH3COO]- 241.05784 181.3
[M+Na-2H]- 203.01866 145.3
[M]+ 182.04344 136.1
[M]- 182.04454 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.